6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile

C24H18F4N4O — CID 171850898

IUPAC6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile
SMILESCC(COc1cc(C#N)nc(Nc2ccc3c(F)c[nH]c3c2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H18F4N4O/c1-14(15-2-4-16(5-3-15)24(26,27)28)13-33-19-8-18(11-29)32-23(10-19)31-17-6-7-20-21(25)12-30-22(20)9-17/h2-10,12,14,30H,13H2,1H3,(H,31,32)
InChIKeyIRRNHXIIMIQIOO-UHFFFAOYSA-N
MW454.43 g/mol
LogP6.52
Rot. Bonds6

About 6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile

6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile (PubChem CID 171850898) has the molecular formula C24H18F4N4O and a molecular weight of 454.43 g/mol. Its IUPAC name is 6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile
PubChem CID171850898
Molecular FormulaC24H18F4N4O
Molecular Weight454.43 g/mol
Exact Mass454.14
IUPAC Name6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile
SMILESCC(COc1cc(C#N)nc(Nc2ccc3c(F)c[nH]c3c2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H18F4N4O/c1-14(15-2-4-16(5-3-15)24(26,27)28)13-33-19-8-18(11-29)32-23(10-19)31-17-6-7-20-21(25)12-30-22(20)9-17/h2-10,12,14,30H,13H2,1H3,(H,31,32)
InChIKeyIRRNHXIIMIQIOO-UHFFFAOYSA-N
XLogP6.52
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.43
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile
CID 171850919
4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 171850814
6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile
CID 171850947
6-(1H-indol-6-ylamino)-4-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 171850841
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 171850779
4-(2-cyclopropylethoxy)-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 175628729
6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile
CID 171850799
6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile
CID 171850874
N-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine
CID 176574578
4-[(3-fluoro-1H-indol-6-yl)amino]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carbonitrile
CID 176574673
6-(1H-indol-6-ylamino)-4-[(1-methylindazol-5-yl)methoxy]pyridine-2-carbonitrile
CID 171850912
N-[2-[5-[[2-cyano-6-(1H-indol-6-ylamino)-4-pyridinyl]amino]-3-pyridinyl]propyl]-6-(1H-indol-6-ylamino)-4-[[6-(trifluoromethoxy)-3-pyridinyl]amino]pyridine-2-carbonitrilium
CID 164538895

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile?
The IUPAC name of 6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile (CID 171850898) is 6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile is CC(COc1cc(C#N)nc(Nc2ccc3c(F)c[nH]c3c2)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile?
The InChIKey is IRRNHXIIMIQIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N4O/c1-14(15-2-4-16(5-3-15)24(26,27)28)13-33-19-8-18(11-29)32-23(10-19)31-17-6-7-20-21(25)12-30-22(20)9-17/h2-10,12,14,30H,13H2,1H3,(H,31,32).
What are the key properties of 6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile?
6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile has a molecular weight of 454.43 g/mol, XLogP of 6.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 171850898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).